[2-methyl-4-[3-methyl-2-(prop-2-enoxycarbonylamino)butanoyl]oxy-butyl] octadecanoate

Systemtic Name: [2-methyl-4-[3-methyl-2-(prop-2-enoxycarbonylamino)butanoyl]oxy-butyl] octadecanoate Openeye Name: [4-[2-(allyloxycarbonylamino)-3-methyl-butanoyl]oxy-2-methyl-butyl] octadecanoate CAS Name: octadecanoic acid [2-methyl-4-[3-methyl-1-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]butoxy]butyl] ester IUPAC Name: [2-methyl-4-[3-methyl-2-(prop-2-enoxycarbonylamino)butanoyl]oxybutyl] octadecanoate Traditional Name: stearic acid [4-[2-(allyloxycarbonylamino)-3-methyl-butanoyl]oxy-2-methyl-butyl] ester Formula: C32H59NO6 MolecularWeight: 553.81396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C)CCOC(=O)C(C(C)C)NC(=O)OCC=C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C)CCOC(=O)C(C(C)C)NC(=O)OCC=C

InChI

InChI=1S/C32H59NO6/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(34)39-26-28(5)23-25-37-31(35)30(27(3)4)33-32(36)38-24-7-2/h7,27-28,30H,2,6,8-26H2,1,3-5H3,(H,33,36)